ChemSpider 2D Image | Methyl 3-chloro-4,6-dihydroxy-2-[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]benzoate | C13H12ClN3O5S

Methyl 3-chloro-4,6-dihydroxy-2-[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]benzoate

  • Molecular FormulaC13H12ClN3O5S
  • Average mass357.770 Da
  • Monoisotopic mass357.018616 Da
  • ChemSpider ID58135953

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Chloro-4,6-dihydroxy-2-[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-4,6-dihydroxy-2-[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]-, methyl ester [ACD/Index Name]
Methyl 3-chloro-4,6-dihydroxy-2-[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]benzoate [ACD/IUPAC Name]
Methyl-3-chlor-4,6-dihydroxy-2-[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]benzoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 84.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 65.11
ACD/KOC (pH 5.5): 678.08
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 10.43
ACD/KOC (pH 7.4): 108.63
Polar Surface Area: 150 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 222.4±3.0 cm3

Click to predict properties on the Chemicalize site


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